Membrane stress profiles from self-consistent field theory.

Abstract

Using self-consistent field theory (SCFT), we develop an accurate, local expression for the stress profiles in membranes and soft matter interfaces, in general. The bond stresses are expressed in terms of pre-computed chain propagators, which are used to describe the statistical weight of the molecules and therefore require minimal additional calculations. In addition, we overcome the resolution limit of the molecular bond length by including the Irving and Kirkwood bond assignment and recover a constant normal stress profile across an interface. Using this theory, we find that the membrane lateral stress profile contains repulsive (positive) stresses in the regions of the head and tail groups, and attractive (negative) stresses near the hydrophobic/hydrophilic interface. We also verify that the zeroth and first moments of the stress profile correspond to the thermodynamic tension and product of the bending modulus and the spontaneous curvature, respectively.